SCHEMBL7306521

SCHEMBL7306521

CC1CC(=O)NN=C1c1ccc2[nH]c(CCNCC(O)COc3cccc4c3CCC(=O)N4)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.46
ADRB2 P07550 1/20 0.46
HTR1A P08908 1/20 0.46
OPRK1 P41145 1/20 0.46
PDE3B Q13370 11/20 0.41
PDE3A Q14432 11/20 0.41
ADRB3 P13945 2/20 0.38
ABCB11 O95342 1/20 0.36
MAOA P21397 1/20 0.36
ADORA2A P29274 1/20 0.36
GPR119 Q8TDV5 3/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9687154 0.88 GPR119 (0.35) ADRB1PDE3BPDE3AADRB3ABCB11
SCHEMBL9687447 0.87 MAPK1 (0.41) ADRB1ADRB2HTR1AOPRK1PDE3B
SCHEMBL7303996 0.86 CTSS (0.43) ADRB1ADRB2ADRB3GPR119
SCHEMBL7305054 0.84 SLC22A1 (0.39) ADRB1ADRB2HTR1APDE3BPDE3A
SCHEMBL7304427 0.83 ADRB2 (0.43) ADRB1ADRB2HTR1AADRB3GPR119
SCHEMBL7304449 0.83 PDE3B (0.39) ADRB1ADRB2HTR1AOPRK1PDE3B
SCHEMBL9687171 0.83 PDE3B (0.41) PDE3BPDE3AADRB3ABCB11MAOA
SCHEMBL7300352 0.83 ADRB1 (0.51) ADRB1ADRB2HTR1AOPRK1PDE3B
SCHEMBL7306614 0.82 ADRB1 (0.52) ADRB1ADRB2HTR1AOPRK1PDE3B
SCHEMBL7304010 0.80 PDE3B (0.43) ADRB1ADRB2PDE3BPDE3AADRB3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0400519-A1 2-Hydroxy-n-propylamines, medicaments containing these compounds and method for preparing them Dr. Karl Thomae GmbH (DE) 1990-12-05 EP disclosed